General Information of the Compound
| Compound ID |
CP0512326
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| Compound Name |
US9314468, Table 7, Compound 77
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| Structure |
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| Formula |
C32H29N5O2
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| Molecular Weight |
515.617
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| Canonical SMILES |
CN(Cc1nccc2c3ccccc3n(CCN3C(=O)c4ccccc4C3=O)c12)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C32H29N5O2/c1-35(28-14-6-8-21-9-7-16-34-29(21)28)20-26-30-23(15-17-33-26)22-10-4-5-13-27(22)36(30)18-19-37-31(38)24-11-2-3-12-25(24)32(37)39/h2-5,7,9-13,15-17,28H,6,8,14,18-20H2,1H3/t28-/m0/s1
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| InChIKey |
GJIDOKDKTJPHIP-NDEPHWFRSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound